5-chloro-2-(pyrrolidin-3-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridine

C11H13ClN4 — CID 117131417

IUPAC5-chloro-2-(pyrrolidin-3-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridine
SMILESClc1cccc2nc(CC3CCNC3)nn12
InChIInChI=1S/C11H13ClN4/c12-9-2-1-3-11-14-10(15-16(9)11)6-8-4-5-13-7-8/h1-3,8,13H,4-7H2
InChIKeyBSQYHPZDIZIFHP-UHFFFAOYSA-N
MW236.71 g/mol
LogP1.53
Rot. Bonds2

About 5-chloro-2-(pyrrolidin-3-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridine

5-chloro-2-(pyrrolidin-3-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridine (PubChem CID 117131417) has the molecular formula C11H13ClN4 and a molecular weight of 236.71 g/mol. Its IUPAC name is 5-chloro-2-(pyrrolidin-3-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridine.

Molecular Properties

Compound Name5-chloro-2-(pyrrolidin-3-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridine
PubChem CID117131417
Molecular FormulaC11H13ClN4
Molecular Weight236.71 g/mol
Exact Mass236.08
IUPAC Name5-chloro-2-(pyrrolidin-3-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridine
SMILESClc1cccc2nc(CC3CCNC3)nn12
InChIInChI=1S/C11H13ClN4/c12-9-2-1-3-11-14-10(15-16(9)11)6-8-4-5-13-7-8/h1-3,8,13H,4-7H2
InChIKeyBSQYHPZDIZIFHP-UHFFFAOYSA-N
XLogP1.53
TPSA42.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.71
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

2-(piperidin-3-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridin-5-amine
CID 117132321
5-chloro-2-[(1-ethylpyrrolidin-2-yl)methyl]-[1,2,4]triazolo[1,5-a]pyridine
CID 117132084
[2-(pyrrolidin-3-ylmethyl)imidazo[1,2-a]pyridin-5-yl]methanamine
CID 117131356
2-(5-chloro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)ethanol
CID 117131064
2-(pyrrolidin-3-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridine-8-carbaldehyde
CID 117136050
methyl 2-(pyrrolidin-3-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridine-6-carboxylate
CID 117129158
6-methyl-2-(piperidin-3-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridine
CID 117130107
5-chloro-2-[(2-chlorophenyl)methyl]-[1,2,4]triazolo[1,5-a]pyridine
CID 117132736
5-chloro-2-pyrrolidin-2-yl-[1,2,4]triazolo[1,5-a]pyridine
CID 84750927
5-(pyrrolidin-3-ylmethyl)imidazo[1,2-a]pyridine
CID 142415541
2-(piperidin-3-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridine-6-carbaldehyde
CID 117130058
2-(piperidin-3-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridine-6-carboxylic acid
CID 117130151

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-(pyrrolidin-3-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridine?
The IUPAC name of 5-chloro-2-(pyrrolidin-3-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridine (CID 117131417) is 5-chloro-2-(pyrrolidin-3-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridine.
What is the SMILES notation for 5-chloro-2-(pyrrolidin-3-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridine?
The canonical SMILES for 5-chloro-2-(pyrrolidin-3-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridine is Clc1cccc2nc(CC3CCNC3)nn12.
What is the InChIKey of 5-chloro-2-(pyrrolidin-3-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridine?
The InChIKey is BSQYHPZDIZIFHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClN4/c12-9-2-1-3-11-14-10(15-16(9)11)6-8-4-5-13-7-8/h1-3,8,13H,4-7H2.
What are the key properties of 5-chloro-2-(pyrrolidin-3-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridine?
5-chloro-2-(pyrrolidin-3-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridine has a molecular weight of 236.71 g/mol, XLogP of 1.53, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-(pyrrolidin-3-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridine is sourced from PubChem (CID 117131417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).